[QE-users] How to make bulk to 0D system

[Lorenzo Paulatto]

Hello Shivam,
you can use some graphical tool, probably, or do it by hand. I personally do not use any external tool, I cannot advice you there. With some simple computing software like matlab/octave, or python or even excel, it does not take that long, and it becomes easier every time.

Once you have put all the atoms in the right place, be sure to put them in a large enough cell to have 10-20Å of vacuum around to avoid images from interacting.
kind regards
--
Lorenzo Paulatto - Paris
On Jun 15 2021, at 9:49 am, Shivam Kansara <sidkans23 at gmail.com> wrote:
> Dear all,
> I am Shivam Kansara and wish to work on nanoparticle systems. I wish to make a bulk system into nanoparticles (0D). So how to make nanoparticles from bulk systems e.g. FeO or CoO. ?
> Please help me in this regard.
>
> Thanking you in advance
>
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> -- With Regards
> Dr. Shivam Kansara
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> Web: https://scholar.google.co.in/citations?user=gucGzjsAAAAJ&hl=en
> https://www.researchgate.net/profile/Shivam_Kansara
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